6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one

C21H19FN2O3 — CID 68974711

IUPAC6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O
InChIInChI=1S/C21H19FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-11H,12-14H2,1H3
InChIKeyJMAJKSHPRHKRQM-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.12
Rot. Bonds4

About 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one

6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 68974711) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID68974711
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O
InChIInChI=1S/C21H19FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-11H,12-14H2,1H3
InChIKeyJMAJKSHPRHKRQM-UHFFFAOYSA-N
XLogP3.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzyloxy)-2-phenylpyridazin-3(2H)-one
CID 751723
(4E)-4-[ethoxy(phenyl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 101404945
6-{[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]methyl}-2-(2-methylphenyl)-3(2H)-pyridazinone
CID 68973914
6-[[2-(4-Fluoro-3-methylphenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 69570376
(4Z)-4-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 71119933
6-[[2-(2-Chloro-4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 91040632
6-[[2-(4-Fluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 141166537
6-[[2-(2,4-Difluorophenyl)-1,3-dioxol-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one
CID 141260844
2-[2-(Aminomethyl)phenyl]-6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]pyridazin-3-one
CID 174547673
Ethyl 4-[(2-fluorophenyl)methoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 7386799
Ethyl 4-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 7386808
Ethyl 4-[(3-fluorophenyl)methoxy]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 7588506

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one (CID 68974711) is 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is JMAJKSHPRHKRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-15-4-2-3-5-19(15)24-20(25)11-10-18(23-24)14-21(26-12-13-27-21)16-6-8-17(22)9-7-16/h2-11H,12-14H2,1H3.
What are the key properties of 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one?
6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 366.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 68974711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).